SCHEMBL18646351

SCHEMBL18646351

c1ccc(-c2ccc(Nc3cccc4c3ccc3c5ccccc5oc43)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ AKR1C3 P42330 3/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALK Q9UM73 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14295749 0.91 AKR1C3 (0.49) KDM4ETDP1MAPTMEN1GLA
SCHEMBL29684910 0.91 AKR1C3 (0.49) KDM4ETDP1MAPTMEN1GLA
SCHEMBL23239603 0.91 AKR1C3 (0.49) KDM4ETDP1MAPTMEN1GLA
SCHEMBL23633658 0.91 KDM4E (0.63) KDM4ETDP1MAPTMEN1GLA
SCHEMBL30659228 0.86 ALOX5 (0.51) KDM4ETDP1MAPTMEN1GLA
SCHEMBL17081265 0.86 ALOX5 (0.51) KDM4ETDP1MAPTMEN1GLA
SCHEMBL20317130 0.85 ALOX5 (0.50) KDM4ETDP1MAPTMEN1GLA
SCHEMBL23867431 0.84 ALOX5 (0.46) KDM4ETDP1MAPTMEN1GLA
SCHEMBL18646349 0.84 MEN1 (0.50) KDM4ETDP1MAPTMEN1GLA
SCHEMBL16366435 0.83 ALOX5 (0.49) KDM4ETDP1MAPTMEN1GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017043757-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2017-03-16 — — WO disclosed
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